3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine

C17H13FN6S — CID 25204175

IUPAC3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine
SMILESFc1cccc(Cn2cc(-c3nsc(Nc4ccccn4)n3)cn2)c1
InChIInChI=1S/C17H13FN6S/c18-14-5-3-4-12(8-14)10-24-11-13(9-20-24)16-22-17(25-23-16)21-15-6-1-2-7-19-15/h1-9,11H,10H2,(H,19,21,22,23)
InChIKeyGIKNKVVSTOIAST-UHFFFAOYSA-N
MW352.40 g/mol
LogP3.73
Rot. Bonds5

About 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine

3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 25204175) has the molecular formula C17H13FN6S and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID25204175
Molecular FormulaC17H13FN6S
Molecular Weight352.40 g/mol
Exact Mass352.09
IUPAC Name3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine
SMILESFc1cccc(Cn2cc(-c3nsc(Nc4ccccn4)n3)cn2)c1
InChIInChI=1S/C17H13FN6S/c18-14-5-3-4-12(8-14)10-24-11-13(9-20-24)16-22-17(25-23-16)21-15-6-1-2-7-19-15/h1-9,11H,10H2,(H,19,21,22,23)
InChIKeyGIKNKVVSTOIAST-UHFFFAOYSA-N
XLogP3.73
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine (CID 25204175) is 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine is Fc1cccc(Cn2cc(-c3nsc(Nc4ccccn4)n3)cn2)c1.
What is the InChIKey of 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is GIKNKVVSTOIAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6S/c18-14-5-3-4-12(8-14)10-24-11-13(9-20-24)16-22-17(25-23-16)21-15-6-1-2-7-19-15/h1-9,11H,10H2,(H,19,21,22,23).
What are the key properties of 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine?
3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 352.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-pyridin-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 25204175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).